Products for Research Use Only
RegisterLogin

Brotianide

CAT: 0013-GTR19195283-02Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19195283-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Brotianide
CAS Number
23233-88-7
Product Name Alternative
BAY-VA 4059, BAY-VA4059, BAY-VA-4059, Brotianide, Dirian, Parasite
Field of Research
Infectious Disease & Virology
Purity
97.44% (May vary between batches)
Solubility
DMSO:60 mg/mL (129.43 mM)
Smiles
C (NC1=CC=C (Br) C=C1) (=S) C2=C (OC (C) =O) C (Br) =CC (Cl) =C2
Molecular Formula
C15H10Br2ClNO2S
Molecular Weight
463.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Brotianide

Brotianide is a small molecule drug. Brotianide has a monoisotopic molecular weight of 460.85 Da.

CAS Number23233-88-7
PubChem CID3034337
IUPAC Name[2-bromo-6-[(4-bromophenyl)carbamothioyl]-4-chlorophenyl] acetate
Molecular FormulaC15H10Br2ClNO2S
Molecular Weight463.6
XLogP5.1
Topological Polar Surface Area70.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity418
SMILES
CC(=O)OC1=C(C=C(C=C1Br)Cl)C(=S)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C15H10Br2ClNO2S/c1-8(20)21-14-12(6-10(18)7-13(14)17)15(22)19-11-4-2-9(16)3-5-11/h2-7H,1H3,(H,19,22)
InChIKey
NRFGEDASJHBPPN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Brotianide
CAS: 23233-88-7
CID: 3034337
Formula: C15H10Br2ClNO2S
MW: 463.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.6
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass462.84670
Monoisotopic Mass460.84875
Topological Polar Surface Area70.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity418
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5780229Brotianide

Popular Products